Conrad A. P. Goodwin

Resonant Inelastic X-ray Scattering Covalency Analysis Reveals Non-Aufbau Electronic Configurations in Low-Valent Lanthanides

Abstract Divalent lanthanide ions can adopt complex 4fn5d1 electron configurations that formally violate the Aufbau principle. The blending of contracted 4f and diffuse 5d character strongly influences lanthanide frontier molecular orbitals, yet quantitative characterization of 5...